1-Isopropylpiperazine (HCID 78013)

Names & identifiers

Preferred name: 1-Isopropylpiperazine
IUPAC: 1-propan-2-ylpiperazine
English name: 1-Isopropylpiperazine
Molecular formula: C7H16N2
Molecular weight: 128.22

Names & synonyms

1-IsopropylpiperazineisopropylpiperazineRefChem:433380224-345-34318-42-7N-Isopropylpiperazine1-(propan-2-yl)piperazine1-propan-2-ylpiperazine137186-14-21-Isopropyl-piperazineIsopropyl piperazinePiperazine, 1-isopropyl-

Show more names

IFLAB-BB F1929-1669TIMTEC-BB SBB004236RARECHEM AH CK 01831-IsopropylpyrazineN-Isopropypiperazine1-isopropyl-piperazin1-(2-PROPYL)PIPERAZINE

n-isopropyl piperazinePiperazine, 1-(1-methylethyl)-1-(1-Methylethyl)piperazineMFCD00167971(1-Isopropyl)piperazine1-(isopropyl)piperazine(methylethyl)piperazineBRN 0103377

Database identifiers

CAS: 4318-42-7
PubChem CID: 78013
DTXSID: DTXSID40195762
ChEMBL: CHEMBL1740581
EC Number: 224-345-3
Nikkaji: J35.450C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 75

Physicochemical properties

Boiling point: 180 · 180-181 °C (lit.)
Density: 0 · 0,896 g/cm3
bulk density: 0.896 g/mL · 0.896g/mL
refractive index: 20 · n20/D 1.4710(lit.)
Flash point: 130 °F · 130 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: Liquid
pka: 9.23 · 9.23±0.10(Predicted)
Specific Gravity: 0.896 · 0.896
color: Clear pale yellow
Water Solubility: Slightly soluble in water.
InChI: InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey: WHKWMTXTYKVFLK-UHFFFAOYSA-N
SMILES: N1(C(C)C)CCNCC1
CAS DataBase Reference: 4318 · 4318-42-7(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS06
Signal word: Danger
Hazard statements: 226 · H226-H311-H315-H319-H335
Precautionary statements: 210 · P210-P280-P302+P352+P312-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xn,F,C,Xi
Risk Statements: 10 · 10-21-36/37/38
Safety Statements: 16 · 16-26-36
RIDADR: 1992 · UN 1992 3/PG 3
WGK Germany: 3 · 3
RTECS: 860000 · TM0860000
Hazard Note: Irritant
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29339900 · 29339900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 DermalEye · Acute Tox. 3 DermalEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H311 (89.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 3 (89.4%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (91.5%)；Eye Irrit. 2 (89.4%)；STOT SE 3 (89.4%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: TM0860000
ridadr: UN 1992 3/PG 3
hs_code: 29339900
risk_code: 10-21-36/37/38
Signal word: Danger
Symbol(GHS): GHS02,GHS06
hazard_code: Xn,F,C,Xi
hazard_note: Irritant
safety_code: 16-26-36
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H226-H311-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Hazard Classifications: Acute Tox. 3 DermalEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P280-P302+P352+P312-P305+P351+P338